(2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide

C22H30N6O2 — CID 147027485

IUPAC(2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C[C@@H]2CN[C@@H](C(=O)N[C@@H](C)C(=O)NCc3ccc(N)nc3C)C2)ccn1
InChIInChI=1S/C22H30N6O2/c1-13-8-16(6-7-24-13)9-17-10-19(25-11-17)22(30)28-15(3)21(29)26-12-18-4-5-20(23)27-14(18)2/h4-8,15,17,19,25H,9-12H2,1-3H3,(H2,23,27)(H,26,29)(H,28,30)/t15-,17-,19+/m0/s1
InChIKeyAWXZDNJIORDAQQ-VDZJLULYSA-N
MW410.52 g/mol
LogP1.02
Rot. Bonds7

About (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide

(2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 147027485) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
PubChem CID147027485
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name(2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C[C@@H]2CN[C@@H](C(=O)N[C@@H](C)C(=O)NCc3ccc(N)nc3C)C2)ccn1
InChIInChI=1S/C22H30N6O2/c1-13-8-16(6-7-24-13)9-17-10-19(25-11-17)22(30)28-15(3)21(29)26-12-18-4-5-20(23)27-14(18)2/h4-8,15,17,19,25H,9-12H2,1-3H3,(H2,23,27)(H,26,29)(H,28,30)/t15-,17-,19+/m0/s1
InChIKeyAWXZDNJIORDAQQ-VDZJLULYSA-N
XLogP1.02
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide (CID 147027485) is (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide is Cc1cc(C[C@@H]2CN[C@@H](C(=O)N[C@@H](C)C(=O)NCc3ccc(N)nc3C)C2)ccn1.
What is the InChIKey of (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is AWXZDNJIORDAQQ-VDZJLULYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-13-8-16(6-7-24-13)9-17-10-19(25-11-17)22(30)28-15(3)21(29)26-12-18-4-5-20(23)27-14(18)2/h4-8,15,17,19,25H,9-12H2,1-3H3,(H2,23,27)(H,26,29)(H,28,30)/t15-,17-,19+/m0/s1.
What are the key properties of (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide?
(2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 1.02, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(2-methyl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 147027485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).