2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene

C28H36N4O2 — CID 143201194

IUPAC2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene
SMILESCC1=CC=CCC1.CNCCC(C)NC(=O)c1ccc2c(c1)CC(c1cccnc1NC=O)C2
InChIInChI=1S/C21H26N4O2.C7H10/c1-14(7-9-22-2)25-21(27)16-6-5-15-10-18(12-17(15)11-16)19-4-3-8-23-20(19)24-13-26;1-7-5-3-2-4-6-7/h3-6,8,11,13-14,18,22H,7,9-10,12H2,1-2H3,(H,25,27)(H,23,24,26);2-3,5H,4,6H2,1H3
InChIKeyMVQVSAGXGJZQSW-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.54
Rot. Bonds8

About 2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene

2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene (PubChem CID 143201194) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene
PubChem CID143201194
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene
SMILESCC1=CC=CCC1.CNCCC(C)NC(=O)c1ccc2c(c1)CC(c1cccnc1NC=O)C2
InChIInChI=1S/C21H26N4O2.C7H10/c1-14(7-9-22-2)25-21(27)16-6-5-15-10-18(12-17(15)11-16)19-4-3-8-23-20(19)24-13-26;1-7-5-3-2-4-6-7/h3-6,8,11,13-14,18,22H,7,9-10,12H2,1-2H3,(H,25,27)(H,23,24,26);2-3,5H,4,6H2,1H3
InChIKeyMVQVSAGXGJZQSW-UHFFFAOYSA-N
XLogP4.54
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-(7,8-dihydro-6H-cyclopenta[g]quinolin-7-yl)-2-pyridinyl]formamide
CID 143469122
N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704780
benzoic acid;N-(3-ethyl-2-pyridinyl)formamide
CID 175520647
3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43240739
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
N-(1-cyanopropan-2-yl)quinoline-6-carboxamide
CID 55118524
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
7-cyclopropyl-N-(4-formamidobutan-2-yl)quinoline-3-carboxamide
CID 129276627
N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide
CID 115661886
N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114316446
N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753439
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724

Frequently Asked Questions

What is the IUPAC name of 2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene?
The IUPAC name of 2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene (CID 143201194) is 2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene is CC1=CC=CCC1.CNCCC(C)NC(=O)c1ccc2c(c1)CC(c1cccnc1NC=O)C2.
What is the InChIKey of 2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene?
The InChIKey is MVQVSAGXGJZQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.C7H10/c1-14(7-9-22-2)25-21(27)16-6-5-15-10-18(12-17(15)11-16)19-4-3-8-23-20(19)24-13-26;1-7-5-3-2-4-6-7/h3-6,8,11,13-14,18,22H,7,9-10,12H2,1-2H3,(H,25,27)(H,23,24,26);2-3,5H,4,6H2,1H3.
What are the key properties of 2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene?
2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene has a molecular weight of 460.62 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formamido-3-pyridinyl)-N-[4-(methylamino)butan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide;1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143201194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).