N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide

C27H32N4O2 — CID 70081070

IUPACN-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CCN(Cc2ccccn2)C1
InChIInChI=1S/C27H32N4O2/c1-19(2)15-25(30-26(32)22-11-10-20-7-3-4-8-21(20)16-22)27(33)29-24-12-14-31(18-24)17-23-9-5-6-13-28-23/h3-11,13,16,19,24-25H,12,14-15,17-18H2,1-2H3,(H,29,33)(H,30,32)/t24-,25-/m0/s1
InChIKeyICWHNIKYKWZHEP-DQEYMECFSA-N
MW444.58 g/mol
LogP3.77
Rot. Bonds8

About N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide

N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide (PubChem CID 70081070) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
PubChem CID70081070
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CCN(Cc2ccccn2)C1
InChIInChI=1S/C27H32N4O2/c1-19(2)15-25(30-26(32)22-11-10-20-7-3-4-8-21(20)16-22)27(33)29-24-12-14-31(18-24)17-23-9-5-6-13-28-23/h3-11,13,16,19,24-25H,12,14-15,17-18H2,1-2H3,(H,29,33)(H,30,32)/t24-,25-/m0/s1
InChIKeyICWHNIKYKWZHEP-DQEYMECFSA-N
XLogP3.77
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
CID 70082959
N-[(2S)-1-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]quinoline-2-carboxamide
CID 70082091
N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-4-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
CID 10231812
N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]quinoline-2-carboxamide
CID 70082543
4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide
CID 86962306
4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858736
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 122132422
4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide
CID 55857815
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 87020213
4-propan-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858737
2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166287246
3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858222

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide (CID 70081070) is N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide is CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CCN(Cc2ccccn2)C1.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide?
The InChIKey is ICWHNIKYKWZHEP-DQEYMECFSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-19(2)15-25(30-26(32)22-11-10-20-7-3-4-8-21(20)16-22)27(33)29-24-12-14-31(18-24)17-23-9-5-6-13-28-23/h3-11,13,16,19,24-25H,12,14-15,17-18H2,1-2H3,(H,29,33)(H,30,32)/t24-,25-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide?
N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 70081070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).