N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide

C27H22N4O2 — CID 72704301

IUPACN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H22N4O2/c32-26(20-10-9-18-5-1-2-6-19(18)15-20)31-25(27(33)30-22-11-13-28-14-12-22)16-21-17-29-24-8-4-3-7-23(21)24/h1-15,17,25,29H,16H2,(H,31,32)(H,28,30,33)/t25-/m0/s1
InChIKeyUKNZUDIREZYCAA-VWLOTQADSA-N
MW434.50 g/mol
LogP4.70
Rot. Bonds6

About N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide

N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide (PubChem CID 72704301) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide
PubChem CID72704301
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC NameN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H22N4O2/c32-26(20-10-9-18-5-1-2-6-19(18)15-20)31-25(27(33)30-22-11-13-28-14-12-22)16-21-17-29-24-8-4-3-7-23(21)24/h1-15,17,25,29H,16H2,(H,31,32)(H,28,30,33)/t25-/m0/s1
InChIKeyUKNZUDIREZYCAA-VWLOTQADSA-N
XLogP4.70
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide (CID 72704301) is N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide is O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide?
The InChIKey is UKNZUDIREZYCAA-VWLOTQADSA-N. The full InChI is InChI=1S/C27H22N4O2/c32-26(20-10-9-18-5-1-2-6-19(18)15-20)31-25(27(33)30-22-11-13-28-14-12-22)16-21-17-29-24-8-4-3-7-23(21)24/h1-15,17,25,29H,16H2,(H,31,32)(H,28,30,33)/t25-/m0/s1.
What are the key properties of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide?
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 72704301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).