2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide

C15H20N4O — CID 121293848

IUPAC2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(N)=O)ccc(N[C@@H]3CCNC3)c2c1C
InChIInChI=1S/C15H20N4O/c1-8-9(2)18-14-11(15(16)20)3-4-12(13(8)14)19-10-5-6-17-7-10/h3-4,10,17-19H,5-7H2,1-2H3,(H2,16,20)/t10-/m1/s1
InChIKeyUNIHIDFRTYKSJP-SNVBAGLBSA-N
MW272.35 g/mol
LogP1.66
Rot. Bonds3

About 2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide

2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide (PubChem CID 121293848) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide
PubChem CID121293848
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(N)=O)ccc(N[C@@H]3CCNC3)c2c1C
InChIInChI=1S/C15H20N4O/c1-8-9(2)18-14-11(15(16)20)3-4-12(13(8)14)19-10-5-6-17-7-10/h3-4,10,17-19H,5-7H2,1-2H3,(H2,16,20)/t10-/m1/s1
InChIKeyUNIHIDFRTYKSJP-SNVBAGLBSA-N
XLogP1.66
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-4-[(1-prop-2-ynoylpiperidin-4-yl)amino]-1H-indole-7-carboxamide
CID 121294051
2,3-dimethyl-4-[(1-prop-2-ynoylpyrrolidin-3-yl)amino]-1H-indole-7-carboxamide
CID 121293853
4-methyl-2-(piperidin-4-ylamino)benzamide
CID 62308857
2-(piperidin-3-ylamino)benzamide
CID 63319381
2,3-difluoro-4-(pyrrolidin-3-ylamino)benzoic acid
CID 79840405
2,3-dimethyl-4-[3-(prop-2-ynoylamino)pyrrolidin-1-yl]-1H-indole-7-carboxamide
CID 121294036
2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide
CID 121293914
2,3-dimethyl-4-[3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide
CID 121294025
3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide
CID 23068117
2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide
CID 79731342
N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide
CID 79731257
4-methyl-3-(pyrrolidin-3-ylamino)benzoic acid
CID 79731598

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide?
The IUPAC name of 2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide (CID 121293848) is 2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide is Cc1[nH]c2c(C(N)=O)ccc(N[C@@H]3CCNC3)c2c1C.
What is the InChIKey of 2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide?
The InChIKey is UNIHIDFRTYKSJP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N4O/c1-8-9(2)18-14-11(15(16)20)3-4-12(13(8)14)19-10-5-6-17-7-10/h3-4,10,17-19H,5-7H2,1-2H3,(H2,16,20)/t10-/m1/s1.
What are the key properties of 2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide?
2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide is sourced from PubChem (CID 121293848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).