6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane

C24H37N5O5 — CID 145496726

IUPAC6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane
SMILESC=C1C=C(C(C)=O)NC(C(=O)NC2CC(C(N)=O)N(C(=O)CNC(=O)C(C)C)C2)=C1.CC(C)C
InChIInChI=1S/C20H27N5O5.C4H10/c1-10(2)19(29)22-8-17(27)25-9-13(7-16(25)18(21)28)23-20(30)15-6-11(3)5-14(24-15)12(4)26;1-4(2)3/h5-6,10,13,16,24H,3,7-9H2,1-2,4H3,(H2,21,28)(H,22,29)(H,23,30);4H,1-3H3
InChIKeyVVIZKGNSINJZME-UHFFFAOYSA-N
MW475.59 g/mol
LogP0.51
Rot. Bonds7

About 6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane

6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane (PubChem CID 145496726) has the molecular formula C24H37N5O5 and a molecular weight of 475.59 g/mol. Its IUPAC name is 6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane.

Molecular Properties

Compound Name6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane
PubChem CID145496726
Molecular FormulaC24H37N5O5
Molecular Weight475.59 g/mol
Exact Mass475.28
IUPAC Name6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane
SMILESC=C1C=C(C(C)=O)NC(C(=O)NC2CC(C(N)=O)N(C(=O)CNC(=O)C(C)C)C2)=C1.CC(C)C
InChIInChI=1S/C20H27N5O5.C4H10/c1-10(2)19(29)22-8-17(27)25-9-13(7-16(25)18(21)28)23-20(30)15-6-11(3)5-14(24-15)12(4)26;1-4(2)3/h5-6,10,13,16,24H,3,7-9H2,1-2,4H3,(H2,21,28)(H,22,29)(H,23,30);4H,1-3H3
InChIKeyVVIZKGNSINJZME-UHFFFAOYSA-N
XLogP0.51
TPSA150.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-amino-N,N-diethyl-1-[(2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-3-yl)carbonyl]-L-prolinamide
CID 56706238
(2S,4S)-4-amino-N,N-diethyl-1-[(2-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)carbonyl]-2-pyrrolidinecarboxamide
CID 56721747
1-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1,2-dicarboxamide
CID 72060911
N-{(3R,5S)-1-acetyl-5-[(diethylamino)carbonyl]pyrrolidin-3-yl}-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 72857517
tert-Butyloxycarbonyl-prolyl-dehydroleucyl-glycyl-ethylamide
CID 6439226
(4S)-4-amino-N-ethyl-1-[(6-isopropyl-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]-L-prolinamide
CID 56703341
(2S,4S)-4-amino-N,N-diethyl-1-[(6-oxo-1,6-dihydropyridin-3-yl)carbonyl]pyrrolidine-2-carboxamide
CID 56703508
(3S)-N-[(E,4S)-1-amino-1,7-dioxooct-5-en-4-yl]-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxamide
CID 59975151
(2R)-N-[(1E)-1-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)buta-1,3-dien-2-yl]pyrrolidine-2-carboxamide
CID 88880430
(2S)-N-[3-(diethylamino)propyl]-1-[(E,4S)-4-[(2-formamidoacetyl)-methylamino]-2,5-dimethylhex-2-enoyl]pyrrolidine-2-carboxamide
CID 89273476
(2S)-N-[3-(diethylamino)propyl]-1-[(4S)-4-[(2-formamidoacetyl)-methylamino]-2,5-dimethylhex-2-enoyl]pyrrolidine-2-carboxamide
CID 123324089
5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 130365315

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane?
The IUPAC name of 6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane (CID 145496726) is 6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane.
What is the SMILES notation for 6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane?
The canonical SMILES for 6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane is C=C1C=C(C(C)=O)NC(C(=O)NC2CC(C(N)=O)N(C(=O)CNC(=O)C(C)C)C2)=C1.CC(C)C.
What is the InChIKey of 6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane?
The InChIKey is VVIZKGNSINJZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O5.C4H10/c1-10(2)19(29)22-8-17(27)25-9-13(7-16(25)18(21)28)23-20(30)15-6-11(3)5-14(24-15)12(4)26;1-4(2)3/h5-6,10,13,16,24H,3,7-9H2,1-2,4H3,(H2,21,28)(H,22,29)(H,23,30);4H,1-3H3.
What are the key properties of 6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane?
6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane has a molecular weight of 475.59 g/mol, XLogP of 0.51, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane is sourced from PubChem (CID 145496726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).