N-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide

C18H14ClN5O2 — CID 66957439

IUPACN-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1occc1Nc1ncnc2[nH]ccc12
InChIInChI=1S/C18H14ClN5O2/c19-12-3-1-2-11(8-12)9-21-18(25)15-14(5-7-26-15)24-17-13-4-6-20-16(13)22-10-23-17/h1-8,10H,9H2,(H,21,25)(H2,20,22,23,24)
InChIKeyOWQGMIXSKSWZMP-UHFFFAOYSA-N
MW367.80 g/mol
LogP3.88
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide

N-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide (PubChem CID 66957439) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide
PubChem CID66957439
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1occc1Nc1ncnc2[nH]ccc12
InChIInChI=1S/C18H14ClN5O2/c19-12-3-1-2-11(8-12)9-21-18(25)15-14(5-7-26-15)24-17-13-4-6-20-16(13)22-10-23-17/h1-8,10H,9H2,(H,21,25)(H2,20,22,23,24)
InChIKeyOWQGMIXSKSWZMP-UHFFFAOYSA-N
XLogP3.88
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)methanamine;3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxylic acid
CID 70925924
4-amino-N-[(3-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 45141812
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
N-(4-phenylbutyl)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide
CID 158201886
4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide
CID 66763665
2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 110782736
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 7486670
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174669328
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide (CID 66957439) is N-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide is O=C(NCc1cccc(Cl)c1)c1occc1Nc1ncnc2[nH]ccc12.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide?
The InChIKey is OWQGMIXSKSWZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c19-12-3-1-2-11(8-12)9-21-18(25)15-14(5-7-26-15)24-17-13-4-6-20-16(13)22-10-23-17/h1-8,10H,9H2,(H,21,25)(H2,20,22,23,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide?
N-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide has a molecular weight of 367.80 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxamide is sourced from PubChem (CID 66957439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).