N-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide

C22H27N5O — CID 15953892

IUPACN-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESCC(C)Nc1cccnc1N1CCC(N(C)C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C22H27N5O/c1-15(2)24-19-9-6-11-23-21(19)27-12-10-17(14-27)26(3)22(28)20-13-16-7-4-5-8-18(16)25-20/h4-9,11,13,15,17,24-25H,10,12,14H2,1-3H3
InChIKeyFNRYYQDUVIPOQG-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.73
Rot. Bonds5

About N-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide

N-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 15953892) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
PubChem CID15953892
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESCC(C)Nc1cccnc1N1CCC(N(C)C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C22H27N5O/c1-15(2)24-19-9-6-11-23-21(19)27-12-10-17(14-27)26(3)22(28)20-13-16-7-4-5-8-18(16)25-20/h4-9,11,13,15,17,24-25H,10,12,14H2,1-3H3
InChIKeyFNRYYQDUVIPOQG-UHFFFAOYSA-N
XLogP3.73
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide (CID 15953892) is N-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide is CC(C)Nc1cccnc1N1CCC(N(C)C(=O)c2cc3ccccc3[nH]2)C1.
What is the InChIKey of N-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is FNRYYQDUVIPOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15(2)24-19-9-6-11-23-21(19)27-12-10-17(14-27)26(3)22(28)20-13-16-7-4-5-8-18(16)25-20/h4-9,11,13,15,17,24-25H,10,12,14H2,1-3H3.
What are the key properties of N-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
N-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[3-(propan-2-ylamino)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 15953892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).