3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide

C21H16N6O2 — CID 89376348

IUPAC3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide
SMILES[H]/N=C1\CCc2cc(Nc3c(C(=O)Nc4ccncn4)oc4cnccc34)ccc21
InChIInChI=1S/C21H16N6O2/c22-16-4-1-12-9-13(2-3-14(12)16)26-19-15-5-7-23-10-17(15)29-20(19)21(28)27-18-6-8-24-11-25-18/h2-3,5-11,22,26H,1,4H2,(H,24,25,27,28)/b22-16+
InChIKeyGHBIDCWIXQSNHQ-CJLVFECKSA-N
MW384.40 g/mol
LogP3.93
Rot. Bonds4

About 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide

3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide (PubChem CID 89376348) has the molecular formula C21H16N6O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide
PubChem CID89376348
Molecular FormulaC21H16N6O2
Molecular Weight384.40 g/mol
Exact Mass384.13
IUPAC Name3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide
SMILES[H]/N=C1\CCc2cc(Nc3c(C(=O)Nc4ccncn4)oc4cnccc34)ccc21
InChIInChI=1S/C21H16N6O2/c22-16-4-1-12-9-13(2-3-14(12)16)26-19-15-5-7-23-10-17(15)29-20(19)21(28)27-18-6-8-24-11-25-18/h2-3,5-11,22,26H,1,4H2,(H,24,25,27,28)/b22-16+
InChIKeyGHBIDCWIXQSNHQ-CJLVFECKSA-N
XLogP3.93
TPSA116.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide
CID 89376408
3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide
CID 89376347
3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide
CID 89376332
3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide
CID 90736294
3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]-N-(pyrimidin-2-ylmethyl)furo[2,3-c]pyridine-2-carboxamide
CID 73225914
[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone
CID 58826897
N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 152781797
3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-(pyrimidin-2-ylmethyl)furo[2,3-c]pyridine-2-carboxamide
CID 91137476
N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 137231015
N-[5-[[2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 73226067
ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate
CID 90807936
3-(4-chloroanilino)-N-(2-hydroxypropyl)furo[2,3-c]pyridine-2-carboxamide
CID 58826867

Frequently Asked Questions

What is the IUPAC name of 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide (CID 89376348) is 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide is [H]/N=C1\CCc2cc(Nc3c(C(=O)Nc4ccncn4)oc4cnccc34)ccc21.
What is the InChIKey of 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide?
The InChIKey is GHBIDCWIXQSNHQ-CJLVFECKSA-N. The full InChI is InChI=1S/C21H16N6O2/c22-16-4-1-12-9-13(2-3-14(12)16)26-19-15-5-7-23-10-17(15)29-20(19)21(28)27-18-6-8-24-11-25-18/h2-3,5-11,22,26H,1,4H2,(H,24,25,27,28)/b22-16+.
What are the key properties of 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide?
3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 89376348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).