N-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide

C20H21N7O3 — CID 171504982

IUPACN-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide
SMILESNC1(c2ncc(C(=O)NCc3ccc(NC(=O)c4ncccc4O)nc3)[nH]2)CCC1
InChIInChI=1S/C20H21N7O3/c21-20(6-2-7-20)19-25-11-13(26-19)17(29)24-10-12-4-5-15(23-9-12)27-18(30)16-14(28)3-1-8-22-16/h1,3-5,8-9,11,28H,2,6-7,10,21H2,(H,24,29)(H,25,26)(H,23,27,30)
InChIKeyLTFYMMLRROCRAN-UHFFFAOYSA-N
MW407.43 g/mol
LogP1.43
Rot. Bonds6

About N-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide

N-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide (PubChem CID 171504982) has the molecular formula C20H21N7O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide
PubChem CID171504982
Molecular FormulaC20H21N7O3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC NameN-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide
SMILESNC1(c2ncc(C(=O)NCc3ccc(NC(=O)c4ncccc4O)nc3)[nH]2)CCC1
InChIInChI=1S/C20H21N7O3/c21-20(6-2-7-20)19-25-11-13(26-19)17(29)24-10-12-4-5-15(23-9-12)27-18(30)16-14(28)3-1-8-22-16/h1,3-5,8-9,11,28H,2,6-7,10,21H2,(H,24,29)(H,25,26)(H,23,27,30)
InChIKeyLTFYMMLRROCRAN-UHFFFAOYSA-N
XLogP1.43
TPSA158.91 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 51.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide (CID 171504982) is N-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide is NC1(c2ncc(C(=O)NCc3ccc(NC(=O)c4ncccc4O)nc3)[nH]2)CCC1.
What is the InChIKey of N-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is LTFYMMLRROCRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3/c21-20(6-2-7-20)19-25-11-13(26-19)17(29)24-10-12-4-5-15(23-9-12)27-18(30)16-14(28)3-1-8-22-16/h1,3-5,8-9,11,28H,2,6-7,10,21H2,(H,24,29)(H,25,26)(H,23,27,30).
What are the key properties of N-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide?
N-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 1.43, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[[2-(1-aminocyclobutyl)-1H-imidazole-5-carbonyl]amino]methyl]-2-pyridinyl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 171504982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).