N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide

C22H17N5O — CID 24865070

IUPACN-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C22H17N5O/c1-14(28)26-18-4-2-3-15(9-18)20-13-24-12-17(11-23)22(20)27-19-5-6-21-16(10-19)7-8-25-21/h2-10,12-13,25H,1H3,(H,24,27)(H,26,28)
InChIKeyJRHGRMZBDZHVPN-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.80
Rot. Bonds4

About N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide

N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide (PubChem CID 24865070) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide
PubChem CID24865070
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC NameN-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C22H17N5O/c1-14(28)26-18-4-2-3-15(9-18)20-13-24-12-17(11-23)22(20)27-19-5-6-21-16(10-19)7-8-25-21/h2-10,12-13,25H,1H3,(H,24,27)(H,26,28)
InChIKeyJRHGRMZBDZHVPN-UHFFFAOYSA-N
XLogP4.80
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide (CID 24865070) is N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2)c1.
What is the InChIKey of N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide?
The InChIKey is JRHGRMZBDZHVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-14(28)26-18-4-2-3-15(9-18)20-13-24-12-17(11-23)22(20)27-19-5-6-21-16(10-19)7-8-25-21/h2-10,12-13,25H,1H3,(H,24,27)(H,26,28).
What are the key properties of N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide?
N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 24865070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).