N,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide

C20H24N4O — CID 176811396

IUPACN,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide
SMILESCNc1ccc(-c2cc(C(C)C)cc3[nH]c(C(=O)N(C)C)cc23)nc1
InChIInChI=1S/C20H24N4O/c1-12(2)13-8-15(17-7-6-14(21-3)11-22-17)16-10-19(20(25)24(4)5)23-18(16)9-13/h6-12,21,23H,1-5H3
InChIKeyQHDKMCCPNXGJAG-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.10
Rot. Bonds4

About N,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide

N,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 176811396) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide
PubChem CID176811396
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide
SMILESCNc1ccc(-c2cc(C(C)C)cc3[nH]c(C(=O)N(C)C)cc23)nc1
InChIInChI=1S/C20H24N4O/c1-12(2)13-8-15(17-7-6-14(21-3)11-22-17)16-10-19(20(25)24(4)5)23-18(16)9-13/h6-12,21,23H,1-5H3
InChIKeyQHDKMCCPNXGJAG-UHFFFAOYSA-N
XLogP4.10
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide (CID 176811396) is N,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide is CNc1ccc(-c2cc(C(C)C)cc3[nH]c(C(=O)N(C)C)cc23)nc1.
What is the InChIKey of N,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is QHDKMCCPNXGJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-12(2)13-8-15(17-7-6-14(21-3)11-22-17)16-10-19(20(25)24(4)5)23-18(16)9-13/h6-12,21,23H,1-5H3.
What are the key properties of N,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide?
N,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-(methylamino)-2-pyridinyl]-6-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 176811396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).