N-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide

C14H13N5O — CID 91383931

IUPACN-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NCNc1cccnc1)c1cc2cc[nH]c2cn1
InChIInChI=1S/C14H13N5O/c20-14(19-9-18-11-2-1-4-15-7-11)12-6-10-3-5-16-13(10)8-17-12/h1-8,16,18H,9H2,(H,19,20)
InChIKeyITERJKMBVXXLFX-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.76
Rot. Bonds4

About N-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide

N-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 91383931) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID91383931
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NCNc1cccnc1)c1cc2cc[nH]c2cn1
InChIInChI=1S/C14H13N5O/c20-14(19-9-18-11-2-1-4-15-7-11)12-6-10-3-5-16-13(10)8-17-12/h1-8,16,18H,9H2,(H,19,20)
InChIKeyITERJKMBVXXLFX-UHFFFAOYSA-N
XLogP1.76
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 91821938
N-(1H-indol-5-yl)pyrazine-2-carboxamide
CID 110744977
4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide
CID 67500980
N-(1H-indol-5-yl)-4-pyridin-3-ylbenzamide
CID 59673715
N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589
3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide
CID 46834031
ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione
CID 144689405
1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid
CID 137499260
N-pyridin-3-yl-1H-indole-3-carboxamide
CID 43399328
5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 70777572
2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
CID 139490788
2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
CID 144765692

Frequently Asked Questions

What is the IUPAC name of N-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide (CID 91383931) is N-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide is O=C(NCNc1cccnc1)c1cc2cc[nH]c2cn1.
What is the InChIKey of N-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is ITERJKMBVXXLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c20-14(19-9-18-11-2-1-4-15-7-11)12-6-10-3-5-16-13(10)8-17-12/h1-8,16,18H,9H2,(H,19,20).
What are the key properties of N-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
N-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 91383931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).